SCHEMBL4334722

SCHEMBL4334722

Nc1cccc2c1ccn2CCCCCB(O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 3/20 0.41
▸ CCND1 P24385 3/20 0.41
▸ PARP1 P09874 1/20 0.38
▸ HTR2C P28335 3/20 0.38
▸ CYP24A1 Q07973 3/20 0.36
▸ P2RX7 Q99572 2/20 0.34
▸ KLKB1 P03952 1/20 0.33
▸ KLK1 P06870 1/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ ICMT O60725 1/20 0.33
▸ MCL1 Q07820 2/20 0.32
▸ BAD Q92934 1/20 0.32
▸ PLG P00747 1/20 0.32
▸ PLAU P00749 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4326930 0.83 P2RX7 (0.50) CDK4CCND1HTR2CP2RX7HTR2A
SCHEMBL13668164 0.83 CDK4 (0.41) CDK4CCND1HTR2CCYP24A1P2RX7
SCHEMBL13668166 0.83 P2RX7 (0.50) CDK4CCND1HTR2CCYP24A1P2RX7
SCHEMBL13668167 0.81 P2RX7 (0.51) CDK4CCND1HTR2CCYP24A1P2RX7
SCHEMBL4328977 0.80 PRMT5 (0.42) CDK4CCND1HTR2CCYP24A1P2RX7
SCHEMBL8223661 0.80 HTR2C (0.51) CDK4CCND1HTR2CCYP24A1MCL1
SCHEMBL6060816 0.74 CDK4 (0.73) CDK4CCND1HTR2CP2RX7HTR2A
SCHEMBL1981671 0.74 HTR2C (0.39) CDK4CCND1PARP1HTR2CCYP24A1
SCHEMBL15631817 0.73 KLKB1 (0.41) CDK4CCND1PARP1HTR2CKLKB1
SCHEMBL8266288 0.71 PLAU (0.50) CDK4CCND1CYP24A1PLGPLAU

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA, INC. (US) 2009-10-22 — — US disclosed
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA, INC. (US) 2009-10-22 — — US disclosed
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA, INC. (US) 2009-10-22 — — US disclosed
US-20080319044-A1 Compounds and Methods of Use Thereof NUADA, LLC (US) 2008-12-25 — — US disclosed
US-20080319044-A1 Compounds and Methods of Use Thereof NUADA, LLC (US) 2008-12-25 — — US disclosed
US-20080319044-A1 Compounds and Methods of Use Thereof NUADA, LLC (US) 2008-12-25 — — US disclosed
WO-2007134169-A9 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA LLC (US) 2008-07-24 — — WO disclosed
WO-2006050236-A2 COMPOUNDS AND METHODS OF USE THEREOF NUADA, LLC (US) 2006-05-11 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF TNF, NFKBIA, IL6 CDK4 505/4885CCND1 2250/4885PARP1 2633/4885
US-20080319044-A1 Compounds and Methods of Use Thereof TNF, LITAF, LTA CDK4 1873/4885CCND1 4134/4885PARP1 3126/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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